Geometry & MOs

Info

ID:

436915

PubChem CID:

135212913

Reduced:

SN2O3C30H38 (1)

Stoich.:

AB2C3D30E38 (1)

Weight, g/mol:

512.282112

ΔHf, kcal/mol:

-55.65

Dipole, Da:

7.0

IP(EA), eV:

 -8.99(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(9S,10S)-9-[4-(2,3-dimethylphenyl)phenyl]-6-(2,5-dimethylpyrazolidin-3-yl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CCC(C=C2)(C)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)C5=CC=CC=C5C

DOS

IR

Vibrations